4-HYDROXY-N’-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Aromatic monoterpenoids

Organic compounds

Lipids and lipid-like molecules

Prenol lipids

Monoterpenoids

Calculated Property

kind Value Source
logP 2.48 ALOGPS
logS -4.2 ALOGPS
Water Solubility 1.69e-02 g/l ALOGPS
logP 3.42 ChemAxon
IUPAC Name 4-hydroxy-N’-{[4-(propan-2-yl)phenyl]methyl}benzohydrazide ChemAxon
Traditional IUPAC Name 4-hydroxy-N’-[(4-isopropylphenyl)methyl]benzohydrazide ChemAxon
Molecular Weight 284.3529 ChemAxon
Monoisotopic Weight 284.152477894 ChemAxon
SMILES CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1 ChemAxon
Molecular Formula C17H20N2O2 ChemAxon
InChI InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21) ChemAxon
InChIKey InChIKey=MFDXHRPPSJRQFX-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 61.36 ChemAxon
Refractivity 94.73 ChemAxon
Polarizability 32.42 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 8.4 ChemAxon
pKa (strongest basic) 3.51 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Estrogen-related receptor gamma : in Human
  • Nuclear receptor-interacting protein 1 : in Human